1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid

C14H15NO4 — CID 65453008

IUPAC1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)C1COc2ccccc2C1
InChIInChI=1S/C14H15NO4/c16-12(15-14(5-6-14)13(17)18)10-7-9-3-1-2-4-11(9)19-8-10/h1-4,10H,5-8H2,(H,15,16)(H,17,18)
InChIKeyANRSLCHSXCQJCD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.97
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid

1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid (PubChem CID 65453008) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
PubChem CID65453008
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)C1COc2ccccc2C1
InChIInChI=1S/C14H15NO4/c16-12(15-14(5-6-14)13(17)18)10-7-9-3-1-2-4-11(9)19-8-10/h1-4,10H,5-8H2,(H,15,16)(H,17,18)
InChIKeyANRSLCHSXCQJCD-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60704683
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid (CID 65453008) is 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is ANRSLCHSXCQJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-12(15-14(5-6-14)13(17)18)10-7-9-3-1-2-4-11(9)19-8-10/h1-4,10H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid?
1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65453008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).